SCHEMBL171276

SCHEMBL171276

O=[N+]([O-])c1cccc(C2=CCNCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
HTR2C P28335 8/20 0.41
HTR6 P50406 2/20 0.40
HTR2A P28223 1/20 0.40
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
QDPR P09417 1/20 0.37
CDK9 P50750 1/20 0.37
KHK P50053 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29814719 0.77 HTR2A (0.37) HTR2CHTR2A
SCHEMBL23089359 0.77 HTR2A (0.37) HTR2CHTR2A
SCHEMBL30454060 0.75 HTR2C (0.51) SIGMAR1HTR2CPIM1PIM3PIM2
SCHEMBL5341889 0.75 HTR2C (0.51) SIGMAR1HTR2CPIM1PIM3PIM2
SCHEMBL29352233 0.75 HTR6 (0.44) SIGMAR1HTR2CHTR6HTR2AQDPR
Hydrochloric Acid SCHEMBL30541475 0.75 HTR6 (0.44) SIGMAR1HTR2CHTR6HTR2AQDPR
SCHEMBL14761633 0.74 CDK9 (0.57) SIGMAR1HTR2CPIM1PIM3PIM2
SCHEMBL3453255 0.74 HTR2C (0.51) SIGMAR1HTR2CPIM1PIM3PIM2
SCHEMBL7940586 0.74 SIGMAR1 (0.49) SIGMAR1HTR2CPIM1PIM3PIM2
SCHEMBL13490658 0.74 SIGMAR1 (0.49) SIGMAR1HTR2CPIM1PIM3PIM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
EP-2576520-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE Healthcare UK Limited (GB) 2013-04-10 EP disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed
WO-2011150183-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2011-12-01 WO disclosed
WO-2011150183-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2011-12-01 WO disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 SIGMAR1 1466/4885HTR2C 399/4885HTR6 124/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 SIGMAR1 1270/4885HTR2C 391/4885HTR6 110/4885
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A SIGMAR1 71/4885HTR2C 10/4885HTR6 14/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.